SCHEMBL23338289

SCHEMBL23338289

c1cc(OCC2CO2)c2cc(OC3CO3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.48
HIF1A Q16665 2/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
PDK1 Q15118 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.37
FGFR1 P11362 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7792130 0.89 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL31120496 0.89 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7977368 0.85 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL31120482 0.81 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7963583 0.81 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL26656743 0.80 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL24452815 0.80 ALDH1A1 (0.56) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL31120505 0.80 ALDH1A1 (0.56) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21551773 0.80 ALDH1A1 (0.56) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL28316329 0.80 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021085397-A1 CHEMICAL-RESISTANT POLYCARBOXYLIC ACID-CONTAINING PROTECTIVE FILM 日産化学株式会社 2021-05-06 WO disclosed